Clausenolide
TL;DR: Clausenolide (CAS 71899-58-6) is a chemical compound with molecular formula C25H32O8 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4S,7S,8S,10S,12R,13S)-7-(furan-3-yl)-10,13-dihydroxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione
Also Known As: CLAUSENOLIDE, Limonoic acid, 2-decarboxy-19-deoxy-1,11-dihydroxy-, .delta.-lactone, (11.beta.)-, (1R,2R,4S,7S,8S,10S,12R,13S)-7-(furan-3-yl)-10,13-dihydroxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo(9.7.0.02,4.02,8.012,16)octadecane-5,18-dione, (1R,2R,4S,7S,8S,10S,12R,13S)-7-(furan-3-yl)-10,13-dihydroxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione, (1S,5aR,5bR,6aS,9S,9aS,11S,11bR)-9-(Furan-3-yl)-1,11-dihydroxy-1,3,3,5a,9a,11b-hexamethyldecahydrofuro[3',4':5,6]naphtho[2,1-c]oxireno[d]pyran-5,7(3H,6aH)-dione
| Molecular Formula | C25H32O8 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 2.5211 |
| Topological Polar Surface Area | 118.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 460.20972 |
| Heavy Atoms | 33 |
| Complexity | 1060.4736 |
Chemical Identifiers
| CAS Number | 71899-58-6 |
|---|---|
| SMILES | C[C@@]12C[C@@H](C3[C@@]4(C(CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)C(O[C@]4(C)O)(C)C)C)O |
Product Overview
Clausenolide (CAS 71899-58-6), with molecular formula C25H32O8 and molecular weight 460.21 g/mol. IUPAC: (1R,2R,4S,7S,8S,10S,12R,13S)-7-(furan-3-yl)-10,13-dihydroxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione.
Chemical Property Profile of Clausenolide
Property Insights of Clausenolide
The XLogP value of 2.5211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clausenolide. The TPSA of 118.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Clausenolide. Following Lipinski's Rule of Five, Clausenolide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clausenolide?
The CAS number of Clausenolide is 71899-58-6.
What is the molecular formula of Clausenolide?
The molecular formula of Clausenolide is C25H32O8.
What is the molecular weight of Clausenolide?
The molecular weight of Clausenolide is 460.21 g/mol.
Where can I buy Clausenolide?
You can request a quote for Clausenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clausenolide?
Yes, KEHONG BIO provides custom synthesis services for Clausenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.